[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(3-propan-2-yloxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(3-isopropoxyphenyl)-4-quinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(3-propan-2-yloxyphenyl)-4-quinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(3-propan-2-yloxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(3-isopropoxyphenyl)-4-quinolyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H27N5O2/c1-19(2)34-21-8-5-7-20(17-21)25-18-23(22-9-3-4-10-24(22)30-25)26(33)31-13-15-32(16-14-31)27-28-11-6-12-29-27/h3-12,17-19H,13-16H2,1-2H3